Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c829ce51b568895e19129ced79f4568",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.520,
"b": 153.104,
"c": 108.745,
"alpha": 90.0,
"beta": 90.7,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.050,1.840],
"number_observations": 1521681,
"number_observations_unique": 165765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 61995,
"number_observations_unique": 7267,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.890
},
{
"type": "R(meas)",
"value": 3.081
},
{
"type": "R(pim)",
"value": 1.046
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [39.050,10.100],
"number_observations": 10180,
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}